(5E)-3-(morpholin-4-ylmethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C22H22N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(morpholin-4-ylmethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-(morpholin-4-ylmethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C22H22N2O4S |
| Smiles | O=C(/C(/S1)=C\c(cccc2)c2OCc2ccccc2)N(CN2CCOCC2)C1=O |
| InChI | InChI=1S/C22H22N2O4S/c25-21-20(29-22(26)24(21)16-23-10-12-27-13-11-23)14-18-8-4-5-9-19(18)28-15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2 |
| InChIK | ZABCFWFBCVLVSH-UHFFFAOYSA-N |
| TotalMolweight | 410.493 |
| Molweight | 410.493 |
| MonoisotopicMass | 410.130028 |
| CLogP | 2.7786 |
| CLogS | -4.147 |
| H Acceptors | 6 |
| TotalSurfaceArea | 306.88 |
| Relative PSA | 0.23029 |
| PolarSurfaceArea | 84.38 |
| Druglikeness | 3.9768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5E)-3-(morpholin-4-ylmethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-(morpholin-4-ylmethyl)-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
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